Basic information
- Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1.Cl- InChIKey
GARYGRXIMZOGIZ-UQKRIMTDSA-N- Molecular formula
- C18H20ClF3N2O3
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 404.1114547
Names & identifiers
- Preferred name
- 4-[1,6-Dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-phenylalanine methyl ester hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoate;hydrochloride
Names & synonyms
4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-phenylalanine methyl ester hydrochlorideSCHEMBL62377634-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl ester hydrochloride salt
Database identifiers
- PubChem CID
- 69716006
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 632
Related reactions
8 records
Compound notes
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